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Ligand

Name11-(2-chlorophenyl)-3,3,8-trimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Molecular formulaC22H23ClN2O
IUPAC name6-(2-chlorophenyl)-3,9,9-trimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Molecular weight366.889
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.2
SynonymsAC1MEDQA
Oprea1_754033
AKOS016320891
MCULE-8169345289
AK-968/14004845
[ Show all ]
Inchi KeyIJMYVYYYYRIKRS-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23ClN2O/c1-13-8-9-16-17(10-13)25-21(14-6-4-5-7-15(14)23)20-18(24-16)11-22(2,3)12-19(20)26/h4-10,21,24-25H,11-12H2,1-3H3
PubChem CID2876782
ChEMBLCHEMBL564151
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
134766Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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